2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

Formula: C26H24BrN3O3S2

SMILES: CCOC1=CC=C(NC(=O)CSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2C2=CC=C(Br)C=C2)C=C1

IUPAC: 2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

InChI: InChI=1S/C26H24BrN3O3S2/c1-2-33-19-13-9-17(10-14-19)28-22(31)15-34-26-29-24-23(20-5-3-4-6-21(20)35-24)25(32)30(26)18-11-7-16(27)8-12-18/h7-14H,2-6,15H2,1H3,(H,28,31)

Composition: C (54.74%), H (4.24%), Br (14.01%), N (7.37%), O (8.41%), S (11.24%)

Molar Mass: 570.52

Atom Count: 59

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	569.044247
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WNRSILSIAUXBMX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	147.01
Topological Polar Surface Area	71
Polarizability	54.62
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H24BrN3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00